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2-[benzyl(methyl)amino]-2-[(3S,4S)-2-[[benzyl(methyl)amino]-cyano-methylene]-3,4-diphenyl-cyclobutylidene]acetonitrile
SpectraBase Compound ID D73pxhqIzqh
InChI InChI=1S/C36H32N4/c1-39(25-27-15-7-3-8-16-27)31(23-37)35-33(29-19-11-5-12-20-29)34(30-21-13-6-14-22-30)36(35)32(24-38)40(2)26-28-17-9-4-10-18-28/h3-22,33-34H,25-26H2,1-2H3/t33-,34-/m1/s1
InChIKey FOMVKLHBIGJTIZ-KKLWWLSJSA-N
Mol Weight 520.7 g/mol
Molecular Formula C36H32N4
Exact Mass 520.262697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FgPem3XaEiy
Name 2-[benzyl(methyl)amino]-2-[(3S,4S)-2-[[benzyl(methyl)amino]-cyano-methylene]-3,4-diphenyl-cyclobutylidene]acetonitrile
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 520.262697046 u
Formula C36H32N4
InChI InChI=1S/C36H32N4/c1-39(25-27-15-7-3-8-16-27)31(23-37)35-33(29-19-11-5-12-20-29)34(30-21-13-6-14-22-30)36(35)32(24-38)40(2)26-28-17-9-4-10-18-28/h3-22,33-34H,25-26H2,1-2H3/t33-,34-/m1/s1
InChIKey FOMVKLHBIGJTIZ-KKLWWLSJSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502503
Molecular Weight 520.680 g/mol
Quality 79
Reported Formula C36H32N4
SMILES [C@@]1([C@](C(C1=C(C#N)N(C)CC1=CC=CC=C1)=C(C#N)N(CC1=CC=CC=C1)C)(C1=CC=CC=C1)[H])(C1=CC=CC=C1)[H]
SPLASH splash10-01r6-9028700000-6674616d178bfe5a1df2
Source of Spectrum QE-21-SM12-2o (DOI: 10.1002/chem.201502503)
Thin-Layer Chromatography 0.42 (PE/EA, 5:1)
Wiley ID 1907182